3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine

C10H17NO — CID 10946343

IUPAC3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine
SMILESC/N=C1\C=C(OC)CC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5H,6-7H2,1-4H3/b11-8+
InChIKeyWJBGPOPXTYNHLQ-DHZHZOJOSA-N
MW167.25 g/mol
LogP2.41
Rot. Bonds1

About 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine

3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine (PubChem CID 10946343) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine
PubChem CID10946343
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine
SMILESC/N=C1\C=C(OC)CC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5H,6-7H2,1-4H3/b11-8+
InChIKeyWJBGPOPXTYNHLQ-DHZHZOJOSA-N
XLogP2.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine?
The IUPAC name of 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine (CID 10946343) is 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine?
The canonical SMILES for 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine is C/N=C1\C=C(OC)CC(C)(C)C1.
What is the InChIKey of 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine?
The InChIKey is WJBGPOPXTYNHLQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5H,6-7H2,1-4H3/b11-8+.
What are the key properties of 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine?
3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine has a molecular weight of 167.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,5,5-trimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 10946343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).